5-butyl-2,3-dihydro-1H-indol-2-ol

C12H17NO — CID 141157926

IUPAC5-butyl-2,3-dihydro-1H-indol-2-ol
SMILESCCCCc1ccc2c(c1)CC(O)N2
InChIInChI=1S/C12H17NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7,12-14H,2-4,8H2,1H3
InChIKeyYPSCFOSDWBLTPF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds3

About 5-butyl-2,3-dihydro-1H-indol-2-ol

5-butyl-2,3-dihydro-1H-indol-2-ol (PubChem CID 141157926) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-butyl-2,3-dihydro-1H-indol-2-ol.

Molecular Properties

Compound Name5-butyl-2,3-dihydro-1H-indol-2-ol
PubChem CID141157926
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-butyl-2,3-dihydro-1H-indol-2-ol
SMILESCCCCc1ccc2c(c1)CC(O)N2
InChIInChI=1S/C12H17NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7,12-14H,2-4,8H2,1H3
InChIKeyYPSCFOSDWBLTPF-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole
CID 4218293
5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4014810
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
5-butyl-1,3-dihydroindol-2-one
CID 10219749
4-butyl-2-methylphenol
CID 10964856
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
7-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406802
2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165476679
ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate
CID 21432732
2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
CID 155747178

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,3-dihydro-1H-indol-2-ol?
The IUPAC name of 5-butyl-2,3-dihydro-1H-indol-2-ol (CID 141157926) is 5-butyl-2,3-dihydro-1H-indol-2-ol.
What is the SMILES notation for 5-butyl-2,3-dihydro-1H-indol-2-ol?
The canonical SMILES for 5-butyl-2,3-dihydro-1H-indol-2-ol is CCCCc1ccc2c(c1)CC(O)N2.
What is the InChIKey of 5-butyl-2,3-dihydro-1H-indol-2-ol?
The InChIKey is YPSCFOSDWBLTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-4-9-5-6-11-10(7-9)8-12(14)13-11/h5-7,12-14H,2-4,8H2,1H3.
What are the key properties of 5-butyl-2,3-dihydro-1H-indol-2-ol?
5-butyl-2,3-dihydro-1H-indol-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,3-dihydro-1H-indol-2-ol is sourced from PubChem (CID 141157926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).